1-(4-butylphenyl)-3-[(3-nitrophenyl)sulfonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(3-nitrophenyl)sulfonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(3-nitrophenyl)sulfonylamino]thiourea CAS Name: 1-(4-butylphenyl)-3-[(3-nitrophenyl)sulfonylamino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(3-nitrophenyl)sulfonylamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(3-nitrophenyl)sulfonylamino]thiourea Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S2/c1-2-3-5-13-8-10-14(11-9-13)18-17(26)19-20-27(24,25)16-7-4-6-15(12-16)21(22)23/h4,6-12,20H,2-3,5H2,1H3,(H2,18,19,26)